4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzonitrile

C14H15N3S — CID 133325866

IUPAC4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzonitrile
SMILESCCc1cnc(CCNc2ccc(C#N)cc2)s1
InChIInChI=1S/C14H15N3S/c1-2-13-10-17-14(18-13)7-8-16-12-5-3-11(9-15)4-6-12/h3-6,10,16H,2,7-8H2,1H3
InChIKeyUXHXWDGGOPVSSJ-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.23
Rot. Bonds5

About 4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzonitrile

4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzonitrile (PubChem CID 133325866) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzonitrile
PubChem CID133325866
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzonitrile
SMILESCCc1cnc(CCNc2ccc(C#N)cc2)s1
InChIInChI=1S/C14H15N3S/c1-2-13-10-17-14(18-13)7-8-16-12-5-3-11(9-15)4-6-12/h3-6,10,16H,2,7-8H2,1H3
InChIKeyUXHXWDGGOPVSSJ-UHFFFAOYSA-N
XLogP3.23
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 133325986
4-cyano-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 71994048
4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-(trifluoromethyl)benzonitrile
CID 133326030
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 133325870
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 168579564
4-[1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethyl]benzonitrile
CID 55025430
4-[(2-cyclopropyl-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 75440277
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 71997185
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine
CID 133325999
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971479
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-4-nitroaniline
CID 133341186
4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883751

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzonitrile?
The IUPAC name of 4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzonitrile (CID 133325866) is 4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzonitrile.
What is the SMILES notation for 4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzonitrile?
The canonical SMILES for 4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzonitrile is CCc1cnc(CCNc2ccc(C#N)cc2)s1.
What is the InChIKey of 4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzonitrile?
The InChIKey is UXHXWDGGOPVSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-2-13-10-17-14(18-13)7-8-16-12-5-3-11(9-15)4-6-12/h3-6,10,16H,2,7-8H2,1H3.
What are the key properties of 4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzonitrile?
4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzonitrile has a molecular weight of 257.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzonitrile is sourced from PubChem (CID 133325866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).